(2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid

C37H34N2O4 — CID 10415617

IUPAC(2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid
SMILESO=C(O)[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](O)CCc1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C37H34N2O4/c40-35(25-24-28-14-13-23-33(26-28)39-38-32-21-11-4-12-22-32)34(36(41)42)27-43-37(29-15-5-1-6-16-29,30-17-7-2-8-18-30)31-19-9-3-10-20-31/h1-23,26,34-35,40H,24-25,27H2,(H,41,42)/b39-38+/t34-,35-/m1/s1
InChIKeySXRFRTGREIFYDA-CASJRBHUSA-N
MW570.69 g/mol
LogP8.10
Rot. Bonds13

About (2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid

(2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid (PubChem CID 10415617) has the molecular formula C37H34N2O4 and a molecular weight of 570.69 g/mol. Its IUPAC name is (2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid.

Molecular Properties

Compound Name(2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid
PubChem CID10415617
Molecular FormulaC37H34N2O4
Molecular Weight570.69 g/mol
Exact Mass570.25
IUPAC Name(2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid
SMILESO=C(O)[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](O)CCc1cccc(/N=N/c2ccccc2)c1
InChIInChI=1S/C37H34N2O4/c40-35(25-24-28-14-13-23-33(26-28)39-38-32-21-11-4-12-22-32)34(36(41)42)27-43-37(29-15-5-1-6-16-29,30-17-7-2-8-18-30)31-19-9-3-10-20-31/h1-23,26,34-35,40H,24-25,27H2,(H,41,42)/b39-38+/t34-,35-/m1/s1
InChIKeySXRFRTGREIFYDA-CASJRBHUSA-N
XLogP8.10
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.69
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-3-hydroxy-5-[3-[2-(4-methoxycarbonylphenyl)ethyl]phenyl]-2-(trityloxymethyl)pentanoic acid
CID 10484122
methyl 3-[(3S,4S)-3-hydroxy-5-oxo-5-phenylmethoxy-4-(trityloxymethyl)pentyl]benzoate
CID 10258249
methyl 3-[2-[3-[(3R,4S)-3-hydroxy-5-oxo-5-phenylmethoxy-4-(trityloxymethyl)pentyl]phenyl]ethyl]benzoate
CID 22610383
dimethyl 4-[2-[3-[(3R,4R)-3-hydroxy-5-oxo-5-phenylmethoxy-4-(trityloxymethyl)pentyl]phenyl]ethyl]benzene-1,2-dicarboxylate
CID 10485371
(2S,3S)-3-hydroxy-8-naphthalen-1-yl-2-(trityloxymethyl)octanoic acid
CID 10257188
1-O-benzyl 8-O-methyl (2S,3S)-3-hydroxy-2-(trityloxymethyl)octanedioate
CID 10393151
(2S)-2-amino-3-[[3-(benzyldiazenyl)phenyl]methyl]butanedioic acid
CID 54220192
4-trityloxybutane-1,3-diol
CID 14027583
methyl (2S)-2-hydroxy-3-trityloxypropanoate
CID 11760225
(3R)-N-acetyl-2,3,4-trihydroxy-5-trityloxypentanamide
CID 130195980
N-benzyl-2-chloro-N-[(2S)-2-hydroxy-3-trityloxypropyl]acetamide
CID 54136714
2-[3-(4-trityloxybutyl)phenoxy]acetic acid
CID 21221283

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid?
The IUPAC name of (2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid (CID 10415617) is (2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid.
What is the SMILES notation for (2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid?
The canonical SMILES for (2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid is O=C(O)[C@H](COC(c1ccccc1)(c1ccccc1)c1ccccc1)[C@H](O)CCc1cccc(/N=N/c2ccccc2)c1.
What is the InChIKey of (2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid?
The InChIKey is SXRFRTGREIFYDA-CASJRBHUSA-N. The full InChI is InChI=1S/C37H34N2O4/c40-35(25-24-28-14-13-23-33(26-28)39-38-32-21-11-4-12-22-32)34(36(41)42)27-43-37(29-15-5-1-6-16-29,30-17-7-2-8-18-30)31-19-9-3-10-20-31/h1-23,26,34-35,40H,24-25,27H2,(H,41,42)/b39-38+/t34-,35-/m1/s1.
What are the key properties of (2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid?
(2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid has a molecular weight of 570.69 g/mol, XLogP of 8.10, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-hydroxy-5-(3-phenyldiazenylphenyl)-2-(trityloxymethyl)pentanoic acid is sourced from PubChem (CID 10415617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).